N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide
N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | 5234-3888 |
| Compound Name: | N~1~-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-{1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C26 H23 N5 O3 S2 |
| Smiles: | COc1cccc(c1)OCCn1cccc1/C=C(/C#N)C(Nc1nc(ns1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.69 |
| logD: | 5.55 |
| logSw: | -6.28 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 185.97 |
| InChI Key: | GIWRFHPPLRSWDJ-UHFFFAOYSA-N |